[1-[(2-azanylpyrimidin-5-yl)methyl]piperidin-3-yl]-(4-chloranyl-2-methyl-phenyl)methanone

Systemtic Name: [1-[(2-azanylpyrimidin-5-yl)methyl]piperidin-3-yl]-(4-chloranyl-2-methyl-phenyl)methanone Openeye Name: [1-[(2-aminopyrimidin-5-yl)methyl]-3-piperidyl]-(4-chloro-2-methyl-phenyl)methanone CAS Name: [1-[(2-amino-5-pyrimidinyl)methyl]-3-piperidinyl]-(4-chloro-2-methylphenyl)methanone IUPAC Name: [1-[(2-aminopyrimidin-5-yl)methyl]piperidin-3-yl]-(4-chloro-2-methylphenyl)methanone Traditional Name: [1-[(2-aminopyrimidin-5-yl)methyl]-3-piperidyl]-(4-chloro-2-methyl-phenyl)methanone Formula: C18H21ClN4O MolecularWeight: 344.83854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)C2CCCN(C2)CC3=CN=C(N=C3)N

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)C2CCCN(C2)CC3=CN=C(N=C3)N

InChI

InChI=1S/C18H21ClN4O/c1-12-7-15(19)4-5-16(12)17(24)14-3-2-6-23(11-14)10-13-8-21-18(20)22-9-13/h4-5,7-9,14H,2-3,6,10-11H2,1H3,(H2,20,21,22)